smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#CCN(Cc1cc2c(cc1C)nc(C)[nH]c2=O)c1ccc(C(=O)N[C@@H](CCCSc2nn[n-]n2)C(=O)[O-])c(F)c1	ZINC000004812211	561695463	/nfs/dbraw/zinc/69/54/63/561695463.db2.gz	ZBYCPCPXWVUTPS-QFIPXVFZSA-N	-2	1	578.630	2.587	1	30		KFEFML
C#CCN(Cc1cc2c(cc1C)nc(C)[nH]c2=O)c1ccc(C(=O)N[C@H](CCCCSc2nn[n-]n2)C(=O)[O-])c(F)c1	ZINC000004812232	561695399	/nfs/dbraw/zinc/69/53/99/561695399.db2.gz	VZYWXVNPFBVQHB-HSZRJFAPSA-N	-2	1	592.657	2.978	1	30		KFEFML
COc1ccc(CNC(=O)c2cc(=O)c3c([O-])cc(OCCc4ccc(NC(=O)C(=O)[O-])c(C#N)c4)cc3o2)cc1	ZINC000014980337	561752846	/nfs/dbraw/zinc/75/28/46/561752846.db2.gz	NNFRKDPIXARSJH-UHFFFAOYSA-N	-2	1	557.515	2.953	1	30		KFEFML
COc1cccc(OC)c1-c1ccc(C[C@H](NC(=NCC(=O)[O-])[C@@H]2CCN2S(=O)(=O)c2ccccc2)C(=O)[O-])cc1	ZINC000026393549	561786222	/nfs/dbraw/zinc/78/62/22/561786222.db2.gz	QFXPVNGZVLYJEY-GOTSBHOMSA-N	-2	1	581.647	2.902	1	30		KFEFML
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)[C@H](CSC/C(=N\[O-])c1ccccc1)C(=O)NO	ZINC000027078970	561834652	/nfs/dbraw/zinc/83/46/52/561834652.db2.gz	YEXZAEUEIDKJBS-AXPLABKQSA-N	-2	1	548.665	2.791	1	30		KFEFML
C#CCN(Cc1cc2c(cc1C)nc(C)[nH]c2=O)c1ccc(C(=O)N[C@@H](CCCCSc2nn[n-]n2)C(=O)[O-])c(F)c1	ZINC000027300923	561848974	/nfs/dbraw/zinc/84/89/74/561848974.db2.gz	VZYWXVNPFBVQHB-QHCPKHFHSA-N	-2	1	592.657	2.978	1	30		KFEFML
CCNC(=S)N/N=C/c1cc2c(c(O)c1C(=O)[O-])-c1c(O)c3c(c(OC)c1CC2)C(=O)c1c(O)c(C)c([O-])cc1C3=O	ZINC000028762595	561958465	/nfs/dbraw/zinc/95/84/65/561958465.db2.gz	KWQPUWOZNMLMEM-LODFRUGASA-N	-2	1	591.598	2.883	1	30		KFEFML
C#CCN(c1ccc(C(=O)N[C@@H](CCC(=O)N[C@H](CCC)c2nn[n-]n2)C(=O)[O-])cc1)[C@@H]1CCc2cc3nc(C)[nH]c(=O)c3cc21	ZINC000029562128	562033493	/nfs/dbraw/zinc/03/34/93/562033493.db2.gz	CNEZQNRZOPCDHP-CMTIAEDTSA-N	-2	1	625.690	2.905	1	30		KFEFML
C#CCN(c1ccc(C(=O)N[C@@H](CCC(=O)N[C@H](CCC)c2nn[n-]n2)C(=O)[O-])cc1)[C@H]1CCc2cc3nc(C)[nH]c(=O)c3cc21	ZINC000029562133	562033447	/nfs/dbraw/zinc/03/34/47/562033447.db2.gz	CNEZQNRZOPCDHP-OBDYRVMHSA-N	-2	1	625.690	2.905	1	30		KFEFML
C=C(CC[C@]12O[C@](C(=O)[O-])([C@H](OC(=O)/C=C/[C@@H](C)C[C@@H](C)CC)[C@H]1O)[C@](O)(C(=O)[O-])[C@@H](c1nn[nH]n1)O2)[C@@H](C(C)=O)[C@H](C)Cc1ccccc1	ZINC000049734176	562673378	/nfs/dbraw/zinc/67/33/78/562673378.db2.gz	JQXQCJCYFVVVLS-NCSQYGPNSA-N	-2	1	698.770	2.958	1	30		KFEFML
C=C(CC[C@]12O[C@](C(=O)[O-])([C@H](OC(=O)/C=C/[C@@H](C)C[C@@H](C)CC)[C@H]1O)[C@](O)(C(=O)[O-])[C@@H](c1nn[n-]n1)O2)[C@@H](C(C)=O)[C@H](C)Cc1ccccc1	ZINC000049734176	562673377	/nfs/dbraw/zinc/67/33/77/562673377.db2.gz	JQXQCJCYFVVVLS-NCSQYGPNSA-N	-3	1	698.770	2.958	1	30		KFEFML
NC1=C2C(=O)C(C=Cc3ccccc3)=C(S(=O)(=O)[O-])C=C2C=C(S(=O)(=O)[O-])C1=[NH+][N-]c1ccc([N+](=O)[O-])cc1	ZINC000072102210	562720306	/nfs/dbraw/zinc/72/03/06/562720306.db2.gz	ZOYLFLUQYJTUST-VUSKWNKGSA-N	-2	1	570.561	2.725	1	30		KFEFML
CN(C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@H](CSCc4ccc(Cl)c(Cl)c4)[C@H]3[C@H](O)[C@@H]12	ZINC000150577495	562845352	/nfs/dbraw/zinc/84/53/52/562845352.db2.gz	QDMKGDGMISSWPG-BRSWNBMKSA-N	-2	1	635.522	2.716	1	30		KFEFML
CN(C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@H](CSCc4ccc(Cl)c(Cl)c4)[C@H]3[C@H](O)[C@H]12	ZINC000150577498	562845349	/nfs/dbraw/zinc/84/53/49/562845349.db2.gz	QDMKGDGMISSWPG-XRJXTYFKSA-N	-2	1	635.522	2.716	1	30		KFEFML
CN(C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@H](CSCc4ccc(Cl)c(Cl)c4)[C@@H]3[C@H](O)[C@@H]12	ZINC000150577500	562845371	/nfs/dbraw/zinc/84/53/71/562845371.db2.gz	QDMKGDGMISSWPG-BVEYFSHISA-N	-2	1	635.522	2.716	1	30		KFEFML
CN(C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@H](CSCc4ccc(Cl)c(Cl)c4)[C@@H]3[C@H](O)[C@H]12	ZINC000150577502	562845346	/nfs/dbraw/zinc/84/53/46/562845346.db2.gz	QDMKGDGMISSWPG-FETKKSMKSA-N	-2	1	635.522	2.716	1	30		KFEFML
Nc1ccc(-c2ccc(N=Nc3c(O)c4c(N)cc(S(=O)(=O)[O-])cc4cc3S(=O)(=O)[O-])cc2)cc1	ZINC000169307986	562853993	/nfs/dbraw/zinc/85/39/93/562853993.db2.gz	VHZBGZHOIBUJJU-QLYXXIJNSA-N	-2	1	514.541	2.658	1	30		KFEFML
Cc1cc(N=C2C=CC(=NC([O-])=c3ccc(=C([O-])Nc4ccc(Nc5cc(C)n(C)c(=N)n5)cc4)cc3)C=C2)nc(=N)n1C	ZINC000377819969	562896180	/nfs/dbraw/zinc/89/61/80/562896180.db2.gz	IFKBHGMABGZCCH-UHFFFAOYSA-O	-2	1	589.684	2.761	1	30		KFEFML
CCOC1CCN(S(=O)(=O)c2ccc3c(c2)C(=N[O-])c2cc(S(=O)(=O)N4CCC(OCC)CC4)ccc2C3=N[O-])CC1	ZINC000474609320	562905550	/nfs/dbraw/zinc/90/55/50/562905550.db2.gz	PIUNNIQSTICENL-UHFFFAOYSA-N	-2	1	620.750	2.832	1	30		KFEFML